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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214177

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-1214177
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['C', 'S', 'F']
  • Chemical System: C-F-S
  • Density: 1.6463448126387428
  • Atomic Density: 0.05246492864895561
  • Unit Cell Volume: 343.0863333568703
  • Molar Volume: 11.478412179485312
  • Full Formula: C4 S2 F12
  • Reduced Formula: C2SF6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -91.63119907
  • Final energy per atom: -5.090622170555555
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.